5-[(E)-but-2-en-2-yl]-1,3-thiazole

C7H9NS — CID 144852945

IUPAC5-[(E)-but-2-en-2-yl]-1,3-thiazole
SMILESC/C=C(\C)c1cncs1
InChIInChI=1S/C7H9NS/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3/b6-3+
InChIKeyQEKFLAYAHZYKAQ-ZZXKWVIFSA-N
MW139.22 g/mol
LogP2.57
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-1,3-thiazole

5-[(E)-but-2-en-2-yl]-1,3-thiazole (PubChem CID 144852945) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-1,3-thiazole
PubChem CID144852945
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name5-[(E)-but-2-en-2-yl]-1,3-thiazole
SMILESC/C=C(\C)c1cncs1
InChIInChI=1S/C7H9NS/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3/b6-3+
InChIKeyQEKFLAYAHZYKAQ-ZZXKWVIFSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-1,3-thiazole
CID 155706862
3-hydroxy-3-(1,3-thiazol-5-yl)prop-2-enenitrile
CID 86690969
1-(1,3-thiazol-5-yl)propan-1-one
CID 54522425
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
lithium 1,3-thiazole-5-carboxylate
CID 67211399
1,3-thiazole-5-carbothiohydrazide
CID 88657254
1,3-thiazole-5-carboxamide;hydrobromide
CID 164945589
4-methyl-1-(1,3-thiazol-5-yl)pent-4-en-1-one
CID 114473677
N'-hydroxy-1,3-thiazole-5-carboximidamide
CID 55281090
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
methanesulfonic acid;1,3-thiazole-5-carboxamide
CID 174614259
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-1,3-thiazole?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-1,3-thiazole (CID 144852945) is 5-[(E)-but-2-en-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-1,3-thiazole is C/C=C(\C)c1cncs1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-1,3-thiazole?
The InChIKey is QEKFLAYAHZYKAQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-6(2)7-4-8-5-9-7/h3-5H,1-2H3/b6-3+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-1,3-thiazole?
5-[(E)-but-2-en-2-yl]-1,3-thiazole has a molecular weight of 139.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-1,3-thiazole is sourced from PubChem (CID 144852945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).